N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide

C8H7F3N2O2 — CID 47137243

IUPACN-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
SMILESCC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C8H7F3N2O2/c1-4(14)13-6-2-5(8(9,10)11)3-12-7(6)15/h2-3H,1H3,(H,12,15)(H,13,14)
InChIKeySEXUKPGDELONHT-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.35
Rot. Bonds1

About N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide

N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide (PubChem CID 47137243) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
PubChem CID47137243
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC NameN-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
SMILESCC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C8H7F3N2O2/c1-4(14)13-6-2-5(8(9,10)11)3-12-7(6)15/h2-3H,1H3,(H,12,15)(H,13,14)
InChIKeySEXUKPGDELONHT-UHFFFAOYSA-N
XLogP1.35
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 2315787
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CID 2587467
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CID 2121670
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CID 84008554
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CID 4826239
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CID 7633456
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CID 8894228
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CID 47249058
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CID 49669728
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CID 132019890
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CID 2623809
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CID 16377604
CID 16377604

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide?
The IUPAC name of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide (CID 47137243) is N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide.
What is the SMILES notation for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide?
The canonical SMILES for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide is CC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide?
The InChIKey is SEXUKPGDELONHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c1-4(14)13-6-2-5(8(9,10)11)3-12-7(6)15/h2-3H,1H3,(H,12,15)(H,13,14).
What are the key properties of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide?
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide has a molecular weight of 220.15 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide is sourced from PubChem (CID 47137243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).